FURTHER VALIDATION. “Next, we carried out microsecond MD simulations of the TMD embedded in a phospatidylcholine (POPC) bilayer in either H2O or D2O (for details including our model of D2O effectively including nuclear quantum effects, (see SI, Tables S2–S4). Note that water molecules enter the TMD domain and cluster at positions that partially overlap with the modeled water positions, see Fig. 7a.”
https://lnkd.in/dzPDm5w
linkedin post 2022-06-29 05:12:48
Nigel Fleming
September 21, 2022